ethyl (2S,3R,4R,5R)-5-(1H-benzimidazol-2-yl)-4-methyl-4-oxidanyl-2-phenyl-thiolane-3-carboxylate

Systemtic Name: ethyl (2S,3R,4R,5R)-5-(1H-benzimidazol-2-yl)-4-methyl-4-oxidanyl-2-phenyl-thiolane-3-carboxylate Openeye Name: ethyl (2S,3R,4R,5R)-5-(1H-benzimidazol-2-yl)-4-hydroxy-4-methyl-2-phenyl-tetrahydrothiophene-3-carboxylate CAS Name: (2S,3R,4R,5R)-5-(1H-benzimidazol-2-yl)-4-hydroxy-4-methyl-2-phenyl-3-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4R,5R)-5-(1H-benzimidazol-2-yl)-4-hydroxy-4-methyl-2-phenylthiolane-3-carboxylate Traditional Name: (2S,3R,4R,5R)-5-(1H-benzimidazol-2-yl)-4-hydroxy-4-methyl-2-phenyl-tetrahydrothiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC(C1(C)O)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](S[C@@H]([C@]1(C)O)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S/c1-3-26-20(24)16-17(13-9-5-4-6-10-13)27-18(21(16,2)25)19-22-14-11-7-8-12-15(14)23-19/h4-12,16-18,25H,3H2,1-2H3,(H,22,23)/t16-,17+,18+,21+/m0/s1